O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(7H-purin-6-ylthio)methyl] ester IUPAC Name: 1-O-tert-butyl 4-O-(7H-purin-6-ylsulfanylmethyl) piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[(7H-purin-6-ylthio)methyl] ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C17H23N5O4S/c1-17(2,3)26-16(24)22-6-4-11(5-7-22)15(23)25-10-27-14-12-13(19-8-18-12)20-9-21-14/h8-9,11H,4-7,10H2,1-3H3,(H,18,19,20,21)